N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine

C17H20N6O2S — CID 56849377

IUPACN-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCN(c1ccc(S(C)(=O)=O)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C17H20N6O2S/c1-22(15-4-3-13(9-19-15)26(2,24)25)12-6-8-23(10-12)17-14-5-7-18-16(14)20-11-21-17/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,18,20,21)/t12-/m1/s1
InChIKeySNUFFADXXLEJDI-GFCCVEGCSA-N
MW372.45 g/mol
LogP1.47
Rot. Bonds4

About N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine

N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 56849377) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID56849377
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC NameN-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCN(c1ccc(S(C)(=O)=O)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C17H20N6O2S/c1-22(15-4-3-13(9-19-15)26(2,24)25)12-6-8-23(10-12)17-14-5-7-18-16(14)20-11-21-17/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,18,20,21)/t12-/m1/s1
InChIKeySNUFFADXXLEJDI-GFCCVEGCSA-N
XLogP1.47
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyano-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]pyridine-2-sulfonamide
CID 78324135
Pyrrolopyrimidine 20
CID 23646632
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine
CID 90183696
N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 10449488
N-methyl-3-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 70649109
N-[3-(benzenesulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868914
3-(Phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 22028181
Pyrrolopyrimidine 23
CID 23646635
6-Chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433193
6-Chloro-5-[1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433194
6-Chloro-5-(1-piperidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433196

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine (CID 56849377) is N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine is CN(c1ccc(S(C)(=O)=O)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is SNUFFADXXLEJDI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-22(15-4-3-13(9-19-15)26(2,24)25)12-6-8-23(10-12)17-14-5-7-18-16(14)20-11-21-17/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,18,20,21)/t12-/m1/s1.
What are the key properties of N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 372.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 56849377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).